2-PHENYLBUTYRIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OFJWFSNDPCAWDK-UHFFFAOYSA-N

InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C10H12O2
Molecular Weight	164.2011
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
lipid biosynthetic process 2 Target ID: GO:0008610 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13273407	Inhibitor 8504
histone acetylation 5 Target ID: GO:0016573 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10470142	Activator 1447

PubMed

Title	Date	PubMed
Studies on mechanism of action of alpha-phenylbutyrate.	1958-03	13535644
Failure of alpha-phenylbutyrate and beta-phenylvalerate in treatment of hypercholesterolemia.	1957-03	13404714
Inhibition of lipid synthesis by alpha-phenyl-N-butyrate and related compounds.	1955-10	13273407

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:19:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:19:40 GMT 2025`
Record UNII	S7S079H2C2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PHENYLBUTYRIC ACID

Systematic Name

English

NSC-1860

Preferred Name

English

(±)-2-PHENYLBUTYRIC ACID

Systematic Name

English

(RS)-2-PHENYLBUTANOIC ACID

Systematic Name

English

PRIMIDONE IMPURITY E [EP IMPURITY]

Common Name

English

(±)-2-PHENYLBUTANOIC ACID

Systematic Name

English

BUTYRIC ACID, 2-PHENYL-

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-ETHYL-

Systematic Name

English

2-PHENYLBUTANOIC ACID

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1946